1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one

C16H19N3O2S — CID 133447514

IUPAC1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
SMILESCC(Nc1ncc(-c2ccccc2)s1)C(=O)N1CCOCC1
InChIInChI=1S/C16H19N3O2S/c1-12(15(20)19-7-9-21-10-8-19)18-16-17-11-14(22-16)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,18)
InChIKeyKRWXKJYZRXQUBO-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.47
Rot. Bonds4

About 1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one

1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one (PubChem CID 133447514) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
PubChem CID133447514
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
SMILESCC(Nc1ncc(-c2ccccc2)s1)C(=O)N1CCOCC1
InChIInChI=1S/C16H19N3O2S/c1-12(15(20)19-7-9-21-10-8-19)18-16-17-11-14(22-16)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,18)
InChIKeyKRWXKJYZRXQUBO-UHFFFAOYSA-N
XLogP2.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one (CID 133447514) is 1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one is CC(Nc1ncc(-c2ccccc2)s1)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
The InChIKey is KRWXKJYZRXQUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12(15(20)19-7-9-21-10-8-19)18-16-17-11-14(22-16)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,18).
What are the key properties of 1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one has a molecular weight of 317.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one is sourced from PubChem (CID 133447514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).